MolNFT v1 · #126605 · protein
Translation initiation factor 4E in complex with (rp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D1)
5M7V · Eukaryotic translation initiation factor 4E: “Translation initiation factor 4E in complex with (rp)-M2(7,2'O)GPPSPG mRNA 5' cap analog (beta-S-arca D1)”. X-ray diffraction, 1 ligand (WZO), 6 pockets (best druggability 0.46). MolNFT…
- PDB
- 5M7V
- Type
- protein
- Length
- 685 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eukaryotic translation initiation factor 4E
- UniProt
- P63073
- Ligands
- WZO
- Pockets
- 6 · best druggability 0.46
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Eukaryotic translation initiation factor 4E | protein | 181 | 33% helix, 29% strand | P63073 |
| C | Eukaryotic translation initiation factor 4E | protein | 164 | 36% helix, 29% strand | P63073 |
| D | Eukaryotic translation initiation factor 4E | protein | 159 | 35% helix, 32% strand | P63073 |
Ligands and binding sites
- WZO · [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl) phosphoryl] hydrogen phosphate · ligand · 3 copies · chains A, B, C
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.46 | 0.79 | 17 | WZO |
| 2 | 110 | 0.44 | 0.78 | 16 | empty |
| 3 | 96 | 0.41 | 0.77 | 18 | WZO |
| 4 | 111 | 0.39 | 0.75 | 26 | empty |
| 5 | 54 | 0.37 | 0.80 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 370 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 364 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 343 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5M7V · Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog… · the same entry in another collection · chain A against A, TM-score 1.00
- P63073 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 4E (P63073) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P63073
- Elsewhere: RCSB PDB 5M7V · PDBe 5M7V · UniProt P63073
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